Data quality metrics extracted from 2hrd.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "e8627c3539470eb73e248078695f46eb",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 88.2,
    "b": 123.4,
    "c": 133.2,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.700],
    "number_observations_unique": 159741,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.74,1.70],
      "quality_factors": [

      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):